N-(2,3-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dimethylphenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2,3-dimethylphenyl)-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H23FN6O2 MolecularWeight: 422.455423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H23FN6O2/c1-15-6-5-8-18(16(15)2)26-21-20(29(30)31)22(25-14-24-21)28-12-10-27(11-13-28)19-9-4-3-7-17(19)23/h3-9,14H,10-13H2,1-2H3,(H,24,25,26)